2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

C21H25NO4 — CID 4957867

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H25NO4/c1-15-10-16(2)12-20(11-15)26-14-21(23)22-17-5-7-18(8-6-17)25-13-19-4-3-9-24-19/h5-8,10-12,19H,3-4,9,13-14H2,1-2H3,(H,22,23)
InChIKeyMOUJJWUSOJIPIB-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.88
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 4957867) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID4957867
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H25NO4/c1-15-10-16(2)12-20(11-15)26-14-21(23)22-17-5-7-18(8-6-17)25-13-19-4-3-9-24-19/h5-8,10-12,19H,3-4,9,13-14H2,1-2H3,(H,22,23)
InChIKeyMOUJJWUSOJIPIB-UHFFFAOYSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 4957867) is 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is MOUJJWUSOJIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-10-16(2)12-20(11-15)26-14-21(23)22-17-5-7-18(8-6-17)25-13-19-4-3-9-24-19/h5-8,10-12,19H,3-4,9,13-14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 4957867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).